5,5-dioxo-N-{[4-(trifluoromethyl)phenyl]methyl}-1,2,3,5-tetrahydro-5lambda~6~-pyrrolo[2,1-c][1,4]benzothiazine-4-carboxamide
Chemical Structure Depiction of
5,5-dioxo-N-{[4-(trifluoromethyl)phenyl]methyl}-1,2,3,5-tetrahydro-5lambda~6~-pyrrolo[2,1-c][1,4]benzothiazine-4-carboxamide
5,5-dioxo-N-{[4-(trifluoromethyl)phenyl]methyl}-1,2,3,5-tetrahydro-5lambda~6~-pyrrolo[2,1-c][1,4]benzothiazine-4-carboxamide
Compound characteristics
| Compound ID: | P563-1560 |
| Compound Name: | 5,5-dioxo-N-{[4-(trifluoromethyl)phenyl]methyl}-1,2,3,5-tetrahydro-5lambda~6~-pyrrolo[2,1-c][1,4]benzothiazine-4-carboxamide |
| Molecular Weight: | 422.42 |
| Molecular Formula: | C20 H17 F3 N2 O3 S |
| Smiles: | C1CC2=C(C(NCc3ccc(cc3)C(F)(F)F)=O)S(c3ccccc3N2C1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1962 |
| logD: | 3.1961 |
| logSw: | -3.708 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.426 |
| InChI Key: | IRBGLGYNUHENBQ-UHFFFAOYSA-N |